SCHEMBL23312996

SCHEMBL23312996

COc1ccc(CNc2ncnc3c2c(C2CCCC2)cn3[C@@H]2O[C@H](CO)[C@H]3OC(C)(C)O[C@H]32)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 5/20 0.42
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ PI4KA P42356 1/20 0.39
▸ PI4K2B Q8TCG2 1/20 0.39
▸ PI4K2A Q9BTU6 1/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ METTL3 Q86U44 3/20 0.39
▸ PRMT5 O14744 2/20 0.39
▸ HTR2B P41595 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23273892 0.88 ADORA3 (0.44) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL24314227 0.88 ADORA3 (0.44) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL29772282 0.87 RXFP1 (0.37) ADORA3ADORA2AADORA1METTL3PRMT5
SCHEMBL23273891 0.85 ADORA3 (0.40) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL29611642 0.84 METTL3 (0.49) ADORA3METTL3PRMT5
SCHEMBL24313846 0.84 METTL3 (0.49) ADORA3METTL3PRMT5
SCHEMBL9109338 0.83 ADORA3 (0.46) ADORA3ADORA2AADORA1PI4KAPI4K2B
SCHEMBL24313539 0.81 CYP1A2 (0.36) ADORA3ADORA2AADORA1
SCHEMBL23273756 0.77 METTL3 (0.46) ADORA3ADORA2AADORA1METTL3PRMT5
SCHEMBL29772301 0.77 METTL3 (0.46) ADORA3ADORA2AADORA1METTL3PRMT5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115298179-A METTL3 modulators 埃克森特治疗公司 2022-11-04 — — CN disclosed
EP-4048674-A2 METTL3 MODULATORS Accent Therapeutics, Inc. (US) 2022-08-31 — — EP disclosed
WO-2021079196-A9 METTL3 MODULATORS ACCENT THERAPEUTICS, INC (US) 2022-07-14 — — WO disclosed
WO-2021079196-A9 METTL3 MODULATORS ACCENT THERAPEUTICS, INC (US) 2022-07-14 — — WO disclosed
WO-2021079196-A2 METTL3 MODULATORS ACCENT THERAPEUTICS, INC (US) 2021-04-29 — — WO disclosed
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